1-[2-(difluoromethoxy)naphthalen-1-yl]butan-2-amine

C15H17F2NO — CID 54928850

IUPAC1-[2-(difluoromethoxy)naphthalen-1-yl]butan-2-amine
SMILESCCC(N)Cc1c(OC(F)F)ccc2ccccc12
InChIInChI=1S/C15H17F2NO/c1-2-11(18)9-13-12-6-4-3-5-10(12)7-8-14(13)19-15(16)17/h3-8,11,15H,2,9,18H2,1H3
InChIKeyQVXZITVWIWIVDR-UHFFFAOYSA-N
MW265.30 g/mol
LogP3.72
Rot. Bonds5

About 1-[2-(difluoromethoxy)naphthalen-1-yl]butan-2-amine

1-[2-(difluoromethoxy)naphthalen-1-yl]butan-2-amine (PubChem CID 54928850) has the molecular formula C15H17F2NO and a molecular weight of 265.30 g/mol. Its IUPAC name is 1-[2-(difluoromethoxy)naphthalen-1-yl]butan-2-amine.

Molecular Properties

Compound Name1-[2-(difluoromethoxy)naphthalen-1-yl]butan-2-amine
PubChem CID54928850
Molecular FormulaC15H17F2NO
Molecular Weight265.30 g/mol
Exact Mass265.13
IUPAC Name1-[2-(difluoromethoxy)naphthalen-1-yl]butan-2-amine
SMILESCCC(N)Cc1c(OC(F)F)ccc2ccccc12
InChIInChI=1S/C15H17F2NO/c1-2-11(18)9-13-12-6-4-3-5-10(12)7-8-14(13)19-15(16)17/h3-8,11,15H,2,9,18H2,1H3
InChIKeyQVXZITVWIWIVDR-UHFFFAOYSA-N
XLogP3.72
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.30
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-methoxynaphthalen-1-yl)butan-2-amine;hydrochloride
CID 170888490
1-(2-prop-2-ynoxynaphthalen-1-yl)butan-2-amine
CID 54929503
[2-(difluoromethoxy)naphthalen-1-yl]methanol
CID 43394581
2-(difluoromethoxy)naphthalen-1-amine;ethane
CID 142518734
(2S)-1-naphthalen-1-ylbutan-2-amine
CID 178163209
1-[3-[2-(difluoromethoxy)naphthalen-1-yl]propyl]-4-methylpiperazine
CID 170863557
(1S)-1-[2-(difluoromethoxy)phenyl]-2-methylbutan-1-amine;hydrochloride
CID 171230995
1-(2-amino-4-methylpentyl)naphthalen-2-ol
CID 55112516
(1R,2S)-1-amino-1-[2-(difluoromethoxy)phenyl]butan-2-ol
CID 171264497
3-[2-(difluoromethoxy)naphthalen-1-yl]-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
CID 170882978
N-[(2-butan-2-yloxynaphthalen-1-yl)methyl]ethanamine
CID 43505535
2-[1-(2-aminoethyl)naphthalen-2-yl]oxybutanoic acid
CID 64663403

Frequently Asked Questions

What is the IUPAC name of 1-[2-(difluoromethoxy)naphthalen-1-yl]butan-2-amine?
The IUPAC name of 1-[2-(difluoromethoxy)naphthalen-1-yl]butan-2-amine (CID 54928850) is 1-[2-(difluoromethoxy)naphthalen-1-yl]butan-2-amine.
What is the SMILES notation for 1-[2-(difluoromethoxy)naphthalen-1-yl]butan-2-amine?
The canonical SMILES for 1-[2-(difluoromethoxy)naphthalen-1-yl]butan-2-amine is CCC(N)Cc1c(OC(F)F)ccc2ccccc12.
What is the InChIKey of 1-[2-(difluoromethoxy)naphthalen-1-yl]butan-2-amine?
The InChIKey is QVXZITVWIWIVDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2NO/c1-2-11(18)9-13-12-6-4-3-5-10(12)7-8-14(13)19-15(16)17/h3-8,11,15H,2,9,18H2,1H3.
What are the key properties of 1-[2-(difluoromethoxy)naphthalen-1-yl]butan-2-amine?
1-[2-(difluoromethoxy)naphthalen-1-yl]butan-2-amine has a molecular weight of 265.30 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(difluoromethoxy)naphthalen-1-yl]butan-2-amine is sourced from PubChem (CID 54928850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).